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Information card for entry 4030063
Preview
Coordinates | 4030063.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H17 F |
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Calculated formula | C25 H17 F |
SMILES | c1(c2ccccc2cc2CC=C(c12)c1ccccc1)c1ccc(cc1)F |
Title of publication | Gold-catalyzed cycloisomerization of 1,6-diyne esters to 1H-cyclopenta[b]naphthalenes, cis-cyclopenten-2-yl δ-diketones, and bicyclo[3.2.0]hepta-1,5-dienes. |
Authors of publication | Li, Dan; Rao, Weidong; Tay, Guan Liang; Ayers, Benjamin James; Chan, Philip Wai Hong |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 23 |
Pages of publication | 11301 - 11315 |
a | 9.296 ± 0.0005 Å |
b | 9.5612 ± 0.0006 Å |
c | 11.2173 ± 0.0006 Å |
α | 74.68 ± 0.003° |
β | 69.564 ± 0.003° |
γ | 65.582 ± 0.004° |
Cell volume | 842.25 ± 0.09 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0677 |
Residual factor for significantly intense reflections | 0.0492 |
Weighted residual factors for significantly intense reflections | 0.1293 |
Weighted residual factors for all reflections included in the refinement | 0.148 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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